SCHEMBL4621699

SCHEMBL4621699

CCCN(CCC)C(=O)c1ccc(OCCCN2CC3CCCC3C2)cc1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.66
HRH2 P25021 7/20 0.47
HRH1 P35367 7/20 0.47
MAOB P27338 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Oxalic Acid SCHEMBL4496330 0.97 HRH3 (0.62) HRH3HRH2HRH1
SCHEMBL4620858 0.91 HRH3 (0.69) HRH3HRH2HRH1MAOB
SCHEMBL4619663 0.90 HRH3 (0.65) HRH3HRH2HRH1MAOB
Oxalic Acid SCHEMBL4506377 0.88 HRH3 (0.65) HRH3HRH2HRH1
Oxalic Acid SCHEMBL4501979 0.87 HRH3 (0.61) HRH3HRH2HRH1
SCHEMBL4489369 0.86 HRH3 (0.72) HRH3HRH2HRH1MAOB
SCHEMBL2027296 0.86 HRH3 (0.69) HRH3HRH2HRH1MAOB
SCHEMBL4622461 0.85 HRH3 (0.67) HRH3HRH2HRH1MAOB
Hydrochloric Acid SCHEMBL1978511 0.85 HRH3 (0.68) HRH3HRH2HRH1MAOB
SCHEMBL4493848 0.84 HRH3 (0.68) HRH3HRH2HRH1MAOB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0013143-A2 Substituted anilinopyrimidines, compositions and use thereof as herbicides, processes for their preparation and intermediates for use therein ICI AUSTRALIA LIMITED (AU) 1980-07-09 EP claimed
EP-1720544-B1 NOVEL AZABICYCLIC DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2008-03-19 EP disclosed
EP-1720544-A1 NOVEL AZABICYCLIC DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier (FR) 2006-11-15 EP disclosed
WO-2005089747-A1 NOVEL AZABICYCLIC DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2005-09-29 WO disclosed